0 mol 6 unq 0 iso 0 dist 8.17981 5.31617 7.39426 8.31647 5.59667 8.07987 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 8.23606 12.6735 8.6578 21.3876 17.5795 9.16411 numMergedOcc 0
2 mol 104 unq 0 iso 0 dist 5.90762 6.30505 5.51204 10.3583 5.47837 5.84311 numMergedOcc 0
3 mol 162 unq 0 iso 0 dist 8.954 12.1377 7.34321 11.8375 5.5542 4.49707 numMergedOcc 0
4 mol 223 unq 0 iso 0 dist 9.14789 7.84356 9.35643 6.97426 4.78255 8.51763 numMergedOcc 0
5 mol 223 unq 1 iso 0 dist 9.14789 7.84356 9.35643 8.87456 5.43913 5.57309 numMergedOcc 0
6 mol 223 unq 2 iso 0 dist 8.78739 9.64427 9.35643 11.322 4.78255 8.51763 numMergedOcc 0
7 mol 223 unq 3 iso 0 dist 8.78739 9.64427 9.35643 10.7897 5.43913 5.57309 numMergedOcc 0
8 mol 230 unq 0 iso 0 dist 6.88683 5.02022 8.02209 9.24729 11.0843 6.86851 numMergedOcc 0
9 mol 230 unq 1 iso 0 dist 6.88683 5.02022 8.02209 14.5121 15.1537 9.88392 numMergedOcc 0
10 mol 230 unq 2 iso 0 dist 7.43793 9.81615 8.02209 14.8863 11.0843 6.86851 numMergedOcc 0
11 mol 230 unq 3 iso 0 dist 7.43793 9.81615 8.02209 17.4286 15.1537 9.88392 numMergedOcc 0
12 mol 233 unq 0 iso 0 dist 7.21238 5.96792 6.79491 13.305 6.92922 9.9704 numMergedOcc 0
13 mol 233 unq 1 iso 0 dist 7.21238 5.96792 6.79491 13.3855 13.8253 9.67749 numMergedOcc 0
14 mol 233 unq 2 iso 0 dist 9.80985 5.42203 6.79491 10.7044 6.92922 9.9704 numMergedOcc 0
15 mol 233 unq 3 iso 0 dist 9.80985 5.42203 6.79491 13.7691 13.8253 9.67749 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 7.38609 3.94313 7.22411 12.4078 11.5129 9.49829 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 6.51428 4.70754 7.09511 7.43391 4.69664 7.34623 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 8.26333 6.68682 7.87371 6.02879 5.40861 7.63525 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 8.26333 5.02587 7.65649 6.02879 5.40861 8.57011 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 9.98985 13.4406 7.92537 19.4324 11.1133 9.56438 numMergedOcc 0
